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Rate Coefficients for Reactions of OH and Cl with Esters
Author(s) -
Liang Peng,
Mu Yujing,
Daële Véronique,
Mellouki Abdelwahid
Publication year - 2010
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201000262
Subject(s) - chemistry , propionate , arrhenius equation , butyrate , kinetics , reactivity (psychology) , reaction rate constant , radical , analytical chemistry (journal) , chemical kinetics , molecule , medicinal chemistry , organic chemistry , activation energy , medicine , physics , alternative medicine , pathology , quantum mechanics , fermentation
Rate coefficients for the gas‐phase reactions of OH radicals with n ‐propyl butyrate ( k 1 ), n ‐butyl propionate ( k 2 ) and n ‐butyl butyrate ( k 3 ) are measured by both absolute and relative methods. The kinetics data obtained over the temperature range 273–372 K are used to derive the Arrhenius expressions (in units of cm 3 molecule −1 s −1 ): k 1 =(1.92±0.50)×10 −12 exp[(400±80)/ T ], k 2 =(2.98±1.32)×10 −12 exp[(209±139)/ T ] and k 3 =(5.35±3.34)×10 −12 exp[(180±194)/ T ]. In addition, the rate coefficients for reactions of the three esters with Cl atoms are determined by the relative‐rate method at room temperature and atmospheric pressure. The rate coefficients measured are (in units of 10 −10 cm 3 molecule −1 s −1 ) as follows: n ‐propyl butyrate (1.4±0.1), n ‐butyl propionate (1.6±0.1), and n ‐butyl butyrate (1.7±0.1). The values obtained are presented, compared with previous determinations and discussed. Reactivity trends and atmospheric implications resulting from this work are also presented.